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MassBank Record: PS024001

6-Hydroxy-2-aminopurine, 2-Amino-6-hydroxypurine, Guanine, 2-Aminohypoxanthine, 2-Amino-6-oxypurine, Guanine enol; LC-ESI-QQ; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PS024001
RECORD_TITLE: 6-Hydroxy-2-aminopurine, 2-Amino-6-hydroxypurine, Guanine, 2-Aminohypoxanthine, 2-Amino-6-oxypurine, Guanine enol; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound SIGMA, G6779.
COMMENT: PRIMe compound in-house ID 240
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: 6-Hydroxy-2-aminopurine
CH$NAME: 2-Amino-6-hydroxypurine
CH$NAME: Guanine
CH$NAME: 2-Aminohypoxanthine
CH$NAME: 2-Amino-6-oxypurine
CH$NAME: Guanine enol
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Guanine
CH$FORMULA: C5H5N5O
CH$EXACT_MASS: 151.129
CH$SMILES: C1=NC2=C(N1)C(=O)N=C(N2)N
CH$IUPAC: InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
CH$LINK: CAS 73-40-5
CH$LINK: KEGG C00242
CH$LINK: PUBCHEM CID:764
CH$LINK: INCHIKEY UYTPUPDQBNUYGX-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 152.11

PK$SPLASH: splash10-0udi-0900000000-542e9af3e3a8f3a90bd9
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  151.0 49419.0 165
  152.0 300053.0 999
//

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